! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
F   -1.5913999030  -0.6687979818  -1.8248836600
F   -2.3598226385  -2.0988917304  -0.4128245760
F   -3.6143291069  -1.3685207287  -1.9939201901
O    4.5754229941   0.0918160696   0.0176539694
O   -0.0920476260   1.6694639498  -0.3091136966
N   -0.2065754670  -0.2651059041   0.8976501649
C    4.4850159705   1.3736944748  -0.6171238897
C   -2.2195660948   0.9384384796   0.4281801480
C    1.1138281419  -0.7367440454   0.9051651279
C    3.4696305899  -0.5471652606   0.4517154931
C   -3.1374228953   0.1174150466  -0.2306701814
C    2.1893387503   0.0012229303   0.4119609135
C   -0.7297123192   0.8145619340   0.2797764064
C    5.8706628719   1.9796079303  -0.5425652026
C    4.0031636293   1.2357128247  -2.0503070254
C    1.3159487893  -2.0050292160   1.4426109770
C    3.6742679308  -1.8221469024   0.9793928057
C   -2.6830586676   1.9756925260   1.2276596368
C   -4.5001921403   0.3279765674  -0.0593162157
C    2.5962393585  -2.5330378817   1.4736418573
C   -2.6786747908  -1.0017123675  -1.1175017754
C   -4.0430443499   2.1768300483   1.4017909666
C   -4.9512699030   1.3508134256   0.7594491318
H    3.7995958036   2.0127951081  -0.0508058278
H    2.0197783205   0.9862170858   0.0131811546
H   -0.8627819543  -0.8530506878   1.3902767935
H    6.5994605551   1.3762470663  -1.0860696554
H    5.8608984053   2.9736030538  -0.9886535016
H    6.2058197910   2.0830577025   0.4896501396
H    3.9193624890   2.2219037622  -2.5071075497
H    3.0246209739   0.7603555020  -2.1225708295
H    4.7082556898   0.6495595440  -2.6417706013
H    0.4805816537  -2.5773859762   1.8257843420
H    4.6717294190  -2.2410427915   1.0045701430
H   -1.9755603409   2.6237940475   1.7276598193
H   -5.2237213448  -0.2960515371  -0.5647384857
H    2.7536986529  -3.5197494851   1.8880708043
H   -4.3902104308   2.9805690637   2.0361204706
H   -6.0138541677   1.5029582370   0.8870007723
*